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authorThomas White <taw@physics.org>2013-03-08 15:23:15 +0100
committerThomas White <taw@physics.org>2013-04-17 17:33:48 +0200
commit698179b8bf305d0794d0bd205243c17682b7dc4a (patch)
tree0c48ff917fd82569c057209653654b970a47e0d8
parent2d3209e0ad03ea6bc72a91f0bf34c7d5a3ba3732 (diff)
pr_gradient_check: Improved checking
-rw-r--r--tests/pr_gradient_check.c15
1 files changed, 8 insertions, 7 deletions
diff --git a/tests/pr_gradient_check.c b/tests/pr_gradient_check.c
index 1ca3a424..8896e58f 100644
--- a/tests/pr_gradient_check.c
+++ b/tests/pr_gradient_check.c
@@ -320,7 +320,7 @@ static double test_gradients(Crystal *cr, double incr_val, int refine,
vec2[n_line] = grad;
n_line++;
- if ( fabs(cgrad) < 5e-8 ) {
+ if ( (fabs(cgrad) < 5e-8) && (fabs(grad) < 5e-8) ) {
n_small++;
continue;
}
@@ -328,14 +328,15 @@ static double test_gradients(Crystal *cr, double incr_val, int refine,
total += fabs(cgrad - grad);
ntot++;
- if ( !within_tolerance(grad, cgrad, 10.0) )
+ if ( !within_tolerance(grad, cgrad, 10.0)
+ || !within_tolerance(cgrad, grad, 10.0) )
{
- //STATUS("!- %s %3i %3i %3i"
- // " %10.2Le %10.2e ratio = %5.2Lf"
- // " %10.2e %10.2e\n",
- // str, h, k, l, grad, cgrad, cgrad/grad,
- // r1, r2);
+ STATUS("!- %s %3i %3i %3i"
+ " %10.2Le %10.2e ratio = %5.2Lf"
+ " %10.2e %10.2e\n",
+ str, h, k, l, grad, cgrad, cgrad/grad,
+ r1, r2);
n_bad++;
} else {